SCHEMBL6672811

SCHEMBL6672811

C=CCOc1c(C(C)(C)C)cccc1C(C)(C)Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
TLR4 O00206 1/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FGFR1 P11362 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6674671 0.85 ALDH1A1 (0.40) ALDH1A1MEN1HTTKMT2AADRA2A
SCHEMBL5090520 0.85 MEN1 (0.37) ALDH1A1MEN1HTTKMT2ACA2
SCHEMBL6675500 0.81 MEN1 (0.32) ALDH1A1MEN1HTTKMT2AADRA2A
SCHEMBL6675079 0.80 ADRB2 (0.36) ALDH1A1MEN1HTTKMT2ATSHR
SCHEMBL28857566 0.80 KDM4E (0.38) ALDH1A1HTTCA2SMN1; SMN2KDM4E
SCHEMBL6675579 0.79 MEN1 (0.33) ALDH1A1MEN1HTTKMT2AADRA2A
SCHEMBL6676865 0.79 MEN1 (0.34) MEN1HTTKMT2ASMN1; SMN2HPGD
SCHEMBL6675529 0.79 CYP2D6 (0.40) ALDH1A1MEN1HTTKMT2ACA2
SCHEMBL6678701 0.78 GAA (0.36) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL5086539 0.77 ALDH1A1 (0.32) ALDH1A1CA2ADRA2AADRA2BADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed